Information card for entry 2217369

Structure parameters

• Chemical name: 20-O-β-D-xylopyranosyl(1→6)-β-D-glucopyranosyl-20(S)-\ protopanaxadiol methanol solvate
• Formula: C42 H74 O13
• Calculated formula: C42 H74 O13
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C[C@@H](O)[C@H]2[C@]1(CC[C@@H]2[C@](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)(C)CCC=C(C)C)C)C)C.OC
• Title of publication: 20-<i>O</i>-β-<small>D</small>-Xylopyranosyl(1\ρightarrow 6)-β-<small>D</small>-glucopyranosyl-20(<i>S</i>)-protopanaxadiol methanol solvate
• Authors of publication: Li, Xing-Wei; Zhou, Wei; Yan, Qin; Zhou, Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o165 - o165
• a: 8.3044 ± 0.0007 Å
• b: 13.2927 ± 0.0011 Å
• c: 38.964 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4301.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes